Publications

Kokkos implementation of an Ewald Coulomb solver and analysis of performance portability

Halver, R. and Meinke, J.H. and Sutmann, G.

JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING
Volume: 138 Pages: 48-54
DOI: 10.1016/j.jpdc.2019.12.003
Published: 2020

Abstract
We have implemented the computation of Coulomb interactions in particle systems using the performance portable C++ framework Kokkos. For the computation of the electrostatic interactions in particle systems we used an Ewald summation. This implementation we consider as a basis for a performance portability study. As target architectures we used Intel CPUs, including Intel Xeon Phi, as well as Nvidia GPUs. To provide a measure for performance portability we compute the number of needed operations and required cycles, i.e. runtime, and compare these with the measured runtime. Results indicate a similar quality of performance portability on all investigated architectures. © 2019 Elsevier Inc.

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